1-[1-(1H-indol-3-yl)propan-2-yl]pyrrolidine-2,5-dione

• ChemBase ID: 203837
• Molecular Formular: C15H16N2O2
• Molecular Mass: 256.29974
• Monoisotopic Mass: 256.12117776
• SMILES: N1(C(=O)CCC1=O)C(Cc1c[nH]c2c1cccc2)C
• Canonical SMILES: CC(N1C(=O)CCC1=O)Cc1c[nH]c2c1cccc2
• InChI: InChI=1S/C15H16N2O2/c1-10(17-14(18)6-7-15(17)19)8-11-9-16-13-5-3-2-4-12(11)13/h2-5,9-10,16H,6-8H2,1H3
• InChIKey: QZCLCVHNXBRKIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-(1H-indol-3-yl)propan-2-yl]pyrrolidine-2,5-dione
• IUPAC Traditional name: 1-[1-(1H-indol-3-yl)propan-2-yl]pyrrolidine-2,5-dione

Database IDs

• PubChem SID: 164259747
• PubChem CID: 582690

CALCULATED PROPERTIES

• Acid pKa: 16.151827
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7586758
• LogD (pH = 7.4): 1.7586758
• Log P: 1.7586758
• Molar Refractivity: 72.051 cm^3
• Polarizability: 28.974243 Å^3
• Polar Surface Area: 53.17 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds